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Information card for entry 7134835
Preview
| Coordinates | 7134835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H17 N O2 |
|---|---|
| Calculated formula | C25 H17 N O2 |
| Title of publication | Pd-catalyzed electrophilic cyclization/C-H annulation cascade of 1,8-diyne oxime ethers to access fused oxepines. |
| Authors of publication | Suresh, Vavilapalli; Reddy, T. Mahipal; Nanubolu, Jagadeesh Babu; Reddy, Maddi Sridhar |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| a | 14.5261 ± 0.0004 Å |
| b | 10.9889 ± 0.0003 Å |
| c | 24.318 ± 0.0007 Å |
| α | 90° |
| β | 109.877 ± 0.002° |
| γ | 90° |
| Cell volume | 3650.52 ± 0.18 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1001 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301267 (current) | 2025-07-17 | cif/ Adding structures of 7134835 via cif-deposit CGI script. |
7134835.cif |
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Users of the data should acknowledge the original authors of the
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